N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide

C31H28N6O2 — CID 155461168

IUPACN-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide
SMILESCOc1nccc2c(-c3cc(NC(C)=O)c4ccn(C(C)(c5ccccn5)c5ccccn5)c4c3)cn(C)c12
InChIInChI=1S/C31H28N6O2/c1-20(38)35-25-17-21(24-19-36(3)29-22(24)11-15-34-30(29)39-4)18-26-23(25)12-16-37(26)31(2,27-9-5-7-13-32-27)28-10-6-8-14-33-28/h5-19H,1-4H3,(H,35,38)
InChIKeyMWLGDKYIXIPQOX-UHFFFAOYSA-N
MW516.61 g/mol
LogP5.76
Rot. Bonds6

About N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide

N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide (PubChem CID 155461168) has the molecular formula C31H28N6O2 and a molecular weight of 516.61 g/mol. Its IUPAC name is N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide
PubChem CID155461168
Molecular FormulaC31H28N6O2
Molecular Weight516.61 g/mol
Exact Mass516.23
IUPAC NameN-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide
SMILESCOc1nccc2c(-c3cc(NC(C)=O)c4ccn(C(C)(c5ccccn5)c5ccccn5)c4c3)cn(C)c12
InChIInChI=1S/C31H28N6O2/c1-20(38)35-25-17-21(24-19-36(3)29-22(24)11-15-34-30(29)39-4)18-26-23(25)12-16-37(26)31(2,27-9-5-7-13-32-27)28-10-6-8-14-33-28/h5-19H,1-4H3,(H,35,38)
InChIKeyMWLGDKYIXIPQOX-UHFFFAOYSA-N
XLogP5.76
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide?
The IUPAC name of N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide (CID 155461168) is N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide.
What is the SMILES notation for N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide?
The canonical SMILES for N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide is COc1nccc2c(-c3cc(NC(C)=O)c4ccn(C(C)(c5ccccn5)c5ccccn5)c4c3)cn(C)c12.
What is the InChIKey of N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide?
The InChIKey is MWLGDKYIXIPQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O2/c1-20(38)35-25-17-21(24-19-36(3)29-22(24)11-15-34-30(29)39-4)18-26-23(25)12-16-37(26)31(2,27-9-5-7-13-32-27)28-10-6-8-14-33-28/h5-19H,1-4H3,(H,35,38).
What are the key properties of N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide?
N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide has a molecular weight of 516.61 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]acetamide is sourced from PubChem (CID 155461168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).